Geometry & MOs

Info

ID:	64751
PubChem CID:	29203948
Reduced:	FS2N3O5C21H26 (1)
Stoich.:	AB2C3D5E21F26 (1)
Weight, g/mol:	381.185255
ΔH_f, kcal/mol:	-198.28
Dipole, Da:	9.28
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations